N-[(4-ethylphenyl)methyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide

C19H23N5O2 — CID 20885691

IUPACN-[(4-ethylphenyl)methyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide
SMILESCCc1ccc(CNC(=O)CCCn2nc(C)n3ccnc3c2=O)cc1
InChIInChI=1S/C19H23N5O2/c1-3-15-6-8-16(9-7-15)13-21-17(25)5-4-11-24-19(26)18-20-10-12-23(18)14(2)22-24/h6-10,12H,3-5,11,13H2,1-2H3,(H,21,25)
InChIKeyPVUQZJLECLXHDF-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.86
Rot. Bonds7

About N-[(4-ethylphenyl)methyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide

N-[(4-ethylphenyl)methyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide (PubChem CID 20885691) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide
PubChem CID20885691
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[(4-ethylphenyl)methyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide
SMILESCCc1ccc(CNC(=O)CCCn2nc(C)n3ccnc3c2=O)cc1
InChIInChI=1S/C19H23N5O2/c1-3-15-6-8-16(9-7-15)13-21-17(25)5-4-11-24-19(26)18-20-10-12-23(18)14(2)22-24/h6-10,12H,3-5,11,13H2,1-2H3,(H,21,25)
InChIKeyPVUQZJLECLXHDF-UHFFFAOYSA-N
XLogP1.86
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide (CID 20885691) is N-[(4-ethylphenyl)methyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide is CCc1ccc(CNC(=O)CCCn2nc(C)n3ccnc3c2=O)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide?
The InChIKey is PVUQZJLECLXHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-3-15-6-8-16(9-7-15)13-21-17(25)5-4-11-24-19(26)18-20-10-12-23(18)14(2)22-24/h6-10,12H,3-5,11,13H2,1-2H3,(H,21,25).
What are the key properties of N-[(4-ethylphenyl)methyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide?
N-[(4-ethylphenyl)methyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide has a molecular weight of 353.43 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-4-(5-methyl-8-oxoimidazo[1,2-d][1,2,4]triazin-7-yl)butanamide is sourced from PubChem (CID 20885691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).